5-benzyl-1-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrazole-4-carboxamide

C19H21N5O — CID 166218790

IUPAC5-benzyl-1-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2CCc3[nH]ncc3C2)c1Cc1ccccc1
InChIInChI=1S/C19H21N5O/c1-24-18(9-13-5-3-2-4-6-13)16(12-21-24)19(25)22-15-7-8-17-14(10-15)11-20-23-17/h2-6,11-12,15H,7-10H2,1H3,(H,20,23)(H,22,25)
InChIKeyIFKHOXPDIZTARB-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.02
Rot. Bonds4

About 5-benzyl-1-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrazole-4-carboxamide

5-benzyl-1-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrazole-4-carboxamide (PubChem CID 166218790) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-benzyl-1-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-benzyl-1-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrazole-4-carboxamide
PubChem CID166218790
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name5-benzyl-1-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2CCc3[nH]ncc3C2)c1Cc1ccccc1
InChIInChI=1S/C19H21N5O/c1-24-18(9-13-5-3-2-4-6-13)16(12-21-24)19(25)22-15-7-8-17-14(10-15)11-20-23-17/h2-6,11-12,15H,7-10H2,1H3,(H,20,23)(H,22,25)
InChIKeyIFKHOXPDIZTARB-UHFFFAOYSA-N
XLogP2.02
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,3-thiazole-4-carboxamide
CID 70711066
1-(2-methyl-1-phenylmethoxypropan-2-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 124852777
3-methyl-1-propyl-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]pyrazole-4-carboxamide
CID 97147352
benzyl N-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)carbamate
CID 175325896
3-(3-hydroxy-3-methylbutyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
CID 70713171
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
CID 126769620
5-benzyl-N-(4,6-dichloro-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazole-4-carboxamide
CID 166349647
5-phenyl-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,2-oxazole-4-carboxamide
CID 126450711
5-(3-methoxyphenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-1H-pyrazole-4-carboxamide
CID 97117950
5-benzyl-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrazole-4-carboxamide
CID 166233967
5-benzyl-1-methyl-N-[1-(6-oxopiperidin-3-yl)pyrazol-4-yl]pyrazole-4-carboxamide
CID 167899031
5-benzyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 100674495

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-benzyl-1-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrazole-4-carboxamide (CID 166218790) is 5-benzyl-1-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-benzyl-1-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-benzyl-1-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrazole-4-carboxamide is Cn1ncc(C(=O)NC2CCc3[nH]ncc3C2)c1Cc1ccccc1.
What is the InChIKey of 5-benzyl-1-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrazole-4-carboxamide?
The InChIKey is IFKHOXPDIZTARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-24-18(9-13-5-3-2-4-6-13)16(12-21-24)19(25)22-15-7-8-17-14(10-15)11-20-23-17/h2-6,11-12,15H,7-10H2,1H3,(H,20,23)(H,22,25).
What are the key properties of 5-benzyl-1-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrazole-4-carboxamide?
5-benzyl-1-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrazole-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 166218790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).